6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline

C25H17F6NO — CID 11858198

IUPAC6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline
SMILESCc1ccccc1-c1c(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc2ncccc12
InChIInChI=1S/C25H17F6NO/c1-15-5-2-3-6-19(15)23-20-7-4-10-32-21(20)8-9-22(23)33-14-16-11-17(24(26,27)28)13-18(12-16)25(29,30)31/h2-13H,14H2,1H3
InChIKeyQLUQVVIXHOYZOL-UHFFFAOYSA-N
MW461.41 g/mol
LogP7.83
Rot. Bonds4

About 6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline

6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline (PubChem CID 11858198) has the molecular formula C25H17F6NO and a molecular weight of 461.41 g/mol. Its IUPAC name is 6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline.

Molecular Properties

Compound Name6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline
PubChem CID11858198
Molecular FormulaC25H17F6NO
Molecular Weight461.41 g/mol
Exact Mass461.12
IUPAC Name6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline
SMILESCc1ccccc1-c1c(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc2ncccc12
InChIInChI=1S/C25H17F6NO/c1-15-5-2-3-6-19(15)23-20-7-4-10-32-21(20)8-9-22(23)33-14-16-11-17(24(26,27)28)13-18(12-16)25(29,30)31/h2-13H,14H2,1H3
InChIKeyQLUQVVIXHOYZOL-UHFFFAOYSA-N
XLogP7.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.41
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline?
The IUPAC name of 6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline (CID 11858198) is 6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline.
What is the SMILES notation for 6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline?
The canonical SMILES for 6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline is Cc1ccccc1-c1c(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc2ncccc12.
What is the InChIKey of 6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline?
The InChIKey is QLUQVVIXHOYZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F6NO/c1-15-5-2-3-6-19(15)23-20-7-4-10-32-21(20)8-9-22(23)33-14-16-11-17(24(26,27)28)13-18(12-16)25(29,30)31/h2-13H,14H2,1H3.
What are the key properties of 6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline?
6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline has a molecular weight of 461.41 g/mol, XLogP of 7.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-(2-methylphenyl)quinoline is sourced from PubChem (CID 11858198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).